[molpro-user] MOLPRO Installation

[G Mahesh]

Dear MOLPRO Users,

We recently installed the latest version of MOLPRO in our clusters,
everything was fine during installation. But, after the installation, while
I was running test calculations (make test for both serial and parallel),
ten *.errout files (most of them are CI and cisd calcualtions) were
created. By inspecting the .errout, I got to know that the error was due to
mismatching of result with the existed one. I  have attached CONFIG and
also have copied the part of out put of one of .errout file
(cs2_qcitgrad_d2h.errout). Could you please suggest me the way to solve the
issue

****
ERRORS DETECTED cs2_qcitgrad_d2h.test

      GRADY_NUM        DGRADY_NUM    GRADY_ANAL   DGRADY_ANAL
    -0.02405328    1.43742970D-09   -0.02519027   -0.00113699
     0.00000000    3.77658713D-18    0.02519027    0.00113699
     0.02405328   -1.43742971D-09    0.00000000    0.00000000


        QCI(T)          HF-SCF          QCI(T)          HF-SCF
 QCI(T)          HF-SCF
   -833.35459503   -832.92589427   -833.35459503   -832.92589427
-833.35459503   -832.92589427
 **********************************************************************************************************************************
 Variable memory released
****

Thanks
Mahesh
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